SCHEMBL2750643

SCHEMBL2750643

CN(C)c1nc2cccc(F)c2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
GPR139 Q6DWJ6 2/20 0.35
PARP1 P09874 1/20 0.34
MAPK1 P28482 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MMP13 P45452 1/20 0.34
KCNQ3 O43525 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30795721 1.00 ALDH1A1 (0.38) ALDH1A1RXFP1PSEN1PSEN2APH1B
SCHEMBL2751798 0.92 RORC (0.37) ALDH1A1RXFP1TRPV1
SCHEMBL30795677 0.92 RORC (0.37) ALDH1A1RXFP1TRPV1
SCHEMBL2751707 0.91 ALDH1A1 (0.36) ALDH1A1RXFP1PSEN1PSEN2APH1B
SCHEMBL30795508 0.91 ALDH1A1 (0.36) ALDH1A1RXFP1PSEN1PSEN2APH1B
SCHEMBL2751807 0.90 GPR139 (0.36) ALDH1A1RXFP1PSEN1PSEN2APH1B
SCHEMBL30796811 0.90 GPR139 (0.36) ALDH1A1RXFP1PSEN1PSEN2APH1B
SCHEMBL2750839 0.90 ALDH1A1 (0.38) ALDH1A1RXFP1PSEN1PSEN2APH1B
SCHEMBL30794424 0.90 ALDH1A1 (0.38) ALDH1A1RXFP1PSEN1PSEN2APH1B
SCHEMBL30796323 0.85 RAB9A (0.50) ALDH1A1RXFP1RAB9ANPSR1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465504-A1 Novel 2,3-diamino-quinazolinone derivatives and their medical use NeuroSearch A/S (DK) 2012-06-20 EP claimed
US-8178544-B2 2, 3-diamino-quinazolinone derivatives and their medical use NEUROSEARCH A/S (DK) 2012-05-15 US claimed
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEURO SEARCH A/S (DK) 2010-06-24 US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-2465504-A1 Novel 2,3-diamino-quinazolinone derivatives and their medical use NeuroSearch A/S (DK) 2012-06-20 EP disclosed
US-8178544-B2 2, 3-diamino-quinazolinone derivatives and their medical use NEUROSEARCH A/S (DK) 2012-05-15 US disclosed
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEURO SEARCH A/S (DK) 2010-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE KCNJ2, KCNN3, KCNK17 ALDH1A1 1660/4885RXFP1 2265/4885PSEN1 805/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.